5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione

C17H14FN3O5 — CID 75171636

IUPAC5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H14FN3O5/c1-25-10-5-4-9-7-21(14(22)12(9)13(10)18)8-17(11-3-2-6-26-11)15(23)19-16(24)20-17/h2-6H,7-8H2,1H3,(H2,19,20,23,24)
InChIKeyBDROZTSMAKJUKB-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.12
Rot. Bonds4

About 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione

5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione (PubChem CID 75171636) has the molecular formula C17H14FN3O5 and a molecular weight of 359.31 g/mol. Its IUPAC name is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
PubChem CID75171636
Molecular FormulaC17H14FN3O5
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H14FN3O5/c1-25-10-5-4-9-7-21(14(22)12(9)13(10)18)8-17(11-3-2-6-26-11)15(23)19-16(24)20-17/h2-6H,7-8H2,1H3,(H2,19,20,23,24)
InChIKeyBDROZTSMAKJUKB-UHFFFAOYSA-N
XLogP1.12
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(R)-5-((4-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754304
(R)-5-((3-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754779
(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(R)-5-((2-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52942483
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053678
(5S)-5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58054076
(R)-5-(furan-2-yl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46881609
(+/-)-5-((6-Methoxy-1-oxoisoindolin-2-yl)methyl)-5-methylimidazolidine-2,4-dione
CID 24888678
(+/-)-5-((6-Methoxy-1-oxoisoindolin-2-yl)methyl)-5-phenylimidazolidine-2,4-dione
CID 46881522
(R)-5-((5-(cyclopropylmethoxy)-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46881647
(R)-5-(4-(cyclopentyloxy)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49864868
5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
CID 58041822

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione (CID 75171636) is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3ccco3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The InChIKey is BDROZTSMAKJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5/c1-25-10-5-4-9-7-21(14(22)12(9)13(10)18)8-17(11-3-2-6-26-11)15(23)19-16(24)20-17/h2-6H,7-8H2,1H3,(H2,19,20,23,24).
What are the key properties of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione has a molecular weight of 359.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 75171636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).